5895-0006 Screening compound: (4Z)-3-(4-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one

5895-0006 Screening compound: (4Z)-3-(4-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one
5895-0006 Screening compound: (4Z)-3-(4-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5895-0006
(4Z)-3-(4-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5895-0006

Molecular Formula

C17H12ClNO3 (C17 H12 ClNO3)

Compound Name

(4Z)-3-(4-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one

IUPAC name

(4Z)-3-(4-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-45-dihydro-12-oxazol-5-one

SMILES

COc1ccc(/C=C(/C(c(cc2)ccc2Cl)=NO2)\C2=O)cc1

InChI

InChI=1S/C17H12ClNO3/c1-21-14-8-2-11(3-9-14)10-15-16(19-22-17(15)20)12-4-6-13(18)7-5-12/h2-10H,1H3

InChI Key

RRGWEXNQPGWEPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00487735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.823

Distribution Coefficient, logD

3.823

Water Solubility, LogSw

-4.75

Polar Surface Area

43.235

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

5895-0006 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5895-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5895-0006?
Check Price and Availability of 5895-0006, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5895-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5895-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5895-0006
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5895-0006 available by request